Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:18:19 UTC
Update Date2025-03-24 20:41:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01534211
Frequency0.8
Structure
Chemical FormulaC9H9N
Molecular Mass131.0735
SMILESc1cc2c3c(c1)CN3CC2
InChI KeyXFFAUBTUCPGCGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aralkylamines
  • azacyclic compounds
  • azepines
  • benzenoids
  • dialkylarylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • Substituents
  • azacycle
  • indole
  • aralkylamine
  • azepine
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine